SCHEMBL9195136

SCHEMBL9195136

COc1ccc(CCCCOc2ccc(CSCc3nccs3)nc2C=CC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9196683 0.88 LTB4R (0.62) LTB4R
SCHEMBL9200604 0.87 LTB4R (0.62) LTB4R
SCHEMBL8734195 0.86 LTB4R (0.85) LTB4R
SCHEMBL8065588 0.85 LTB4R (0.98) LTB4R
SCHEMBL8073392 0.85 LTB4R (0.82) LTB4R
SCHEMBL8065585 0.84 LTB4R (1.00) LTB4R
SCHEMBL13696782 0.84 LTB4R (1.00) LTB4R
SCHEMBL8078498 0.84 LTB4R (0.84) LTB4R
SCHEMBL7027871 0.83 LTB4R (0.80) LTB4R
SCHEMBL7027874 0.83 LTB4R (0.80) LTB4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639975-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1995-03-01 EP claimed
EP-0639975-A4 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES. SMITHKLINE BEECHAM CORP (US) 1994-10-24 EP claimed
WO-1993010780-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1993-06-10 WO claimed
EP-0639975-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1995-03-01 EP disclosed
EP-0639975-A4 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES. SMITHKLINE BEECHAM CORP (US) 1994-10-24 EP disclosed
WO-1993010780-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINE COMPOUNDS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1993-06-10 WO disclosed